Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H9FN2/c14-11-6-2-1-5-10(11)12-9-16-8-4-3-7-13(16)15-12/h1-9H
SMILES Fc1ccccc1c1nc2n(c1)cccc2
InChI Key SANQKCXADXGKQK-UHFFFAOYSA-N
Molecular Formula C13H9FN2
Exact Mass 212.222 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SANQKCXADXGKQK-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/SANQKCXADXGKQK-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:43:30.489334
MetadataModified 2024-09-08T00:43:30.489340
MetadataPublished 2023-03-03
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
78909026 PubChem
ZINC000042829001 ZINC
J3.217.539B Nikkaji
The data in this table is sourced from UniChem at EBI.